Geometry & MOs

Info

ID:

109469

PubChem CID:

50285588

Reduced:

FO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-221.99

Dipole, Da:

11.4

IP(EA), eV:

 -8.64(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C

DOS

IR

Vibrations